expert system

https://doi.org/10.1351/goldbook.11441
A system that predicts properties or activities of chemicals from rules devised by domain experts.
Example: The CLOGP program to predict log P or the Derek Nexus system to predict toxicity.
Source:
PAC, 2016, 88, 239. (Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)) on page 246 [Terms] [Paper]
Citation: 'expert system' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. https://doi.org/10.1351/goldbook.11441 RIS BibTex EndNote
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